Molecular Basis for Polyketide Ketoreductase-Substrate Interactions
Zhao, Shiji, Ni, Fanglue, Qiu, Tianyin, Wolff, Jacob T, Tsai, Shiou-Chuan, Luo, Ray
Published in International journal of molecular sciences (13.10.2020)
Published in International journal of molecular sciences (13.10.2020)
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Journal Article
Long-term toxic effects of iron-based metal-organic framework nanopesticides on earthworm-soil microorganism interactions in the soil environment
Chen, Huiya, Yang, Liupeng, Zhao, Shiji, Xu, Hanhong, Zhang, Zhixiang
Published in The Science of the total environment (20.03.2024)
Published in The Science of the total environment (20.03.2024)
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Journal Article
Accurate Reproduction of Quantum Mechanical Many-Body Interactions in Peptide Main-Chain Hydrogen-Bonding Oligomers by the Polarizable Gaussian Multipole Model
Zhao, Shiji, Wei, Haixin, Cieplak, Piotr, Duan, Yong, Luo, Ray
Published in Journal of chemical theory and computation (11.10.2022)
Published in Journal of chemical theory and computation (11.10.2022)
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Journal Article
Transferability of the Electrostatic Parameters of the Polarizable Gaussian Multipole Model
Zhao, Shiji, Cieplak, Piotr, Duan, Yong, Luo, Ray
Published in Journal of chemical theory and computation (14.02.2023)
Published in Journal of chemical theory and computation (14.02.2023)
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Journal Article
Assessment of Amino Acid Electrostatic Parametrizations of the Polarizable Gaussian Multipole Model
Zhao, Shiji, Cieplak, Piotr, Duan, Yong, Luo, Ray
Published in Journal of chemical theory and computation (12.03.2024)
Published in Journal of chemical theory and computation (12.03.2024)
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Journal Article
Assessment of Amino Acid Electrostatic Parameterizations of the Polarizable Gaussian Multipole Model
Zhao, Shiji, Cieplak, Piotr, Duan, Yong, Luo, Ray
Published in Journal of chemical theory and computation (23.02.2024)
Published in Journal of chemical theory and computation (23.02.2024)
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Journal Article
Pectin-Coated Iron-Based Metal–Organic Framework Nanoparticles for Enhanced Foliar Adhesion and Targeted Delivery of Fungicides
Yang, Liupeng, Chen, Huiya, Zhu, Shiqi, Zhao, Shiji, Huang, Suqing, Cheng, Dongmei, Xu, Hanhong, Zhang, Zhixiang
Published in ACS nano (27.02.2024)
Published in ACS nano (27.02.2024)
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Journal Article
PyRESP: A flexible program for polarizable force field parameterizations
Zhao, Shiji, Wei, Haixin, Cieplak, Piotr, Duan, Yong, Luo, Ray
Published in Biophysical journal (11.02.2022)
Published in Biophysical journal (11.02.2022)
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Journal Article
Optimal Scheme to Achieve Energy Conservation in Induced Dipole Models
Huang, Zhen, Zhao, Shiji, Cieplak, Piotr, Duan, Yong, Luo, Ray, Wei, Haixin
Published in Journal of chemical theory and computation (08.08.2023)
Published in Journal of chemical theory and computation (08.08.2023)
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Journal Article
Streamlining and Optimizing Strategies of Electrostatic Parameterization
Zhu, Qiang, Wu, Yongxian, Zhao, Shiji, Cieplak, Piotr, Duan, Yong, Luo, Ray
Published in Journal of chemical theory and computation (26.09.2023)
Published in Journal of chemical theory and computation (26.09.2023)
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Journal Article
Development of a Pantetheine Force Field Library for Molecular Modeling
Zhao, Shiji, Schaub, Andrew J, Tsai, Shiou-Chuan, Luo, Ray
Published in Journal of chemical information and modeling (22.02.2021)
Published in Journal of chemical information and modeling (22.02.2021)
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Journal Article
AmberTools
Case, David A., Aktulga, Hasan Metin, Belfon, Kellon, Cerutti, David S., Cisneros, G. Andrés, Cruzeiro, Vinícius Wilian D., Forouzesh, Negin, Giese, Timothy J., Götz, Andreas W., Gohlke, Holger, Izadi, Saeed, Kasavajhala, Koushik, Kaymak, Mehmet C., King, Edward, Kurtzman, Tom, Lee, Tai-Sung, Li, Pengfei, Liu, Jian, Luchko, Tyler, Luo, Ray, Manathunga, Madushanka, Machado, Matias R., Nguyen, Hai Minh, O’Hearn, Kurt A., Onufriev, Alexey V., Pan, Feng, Pantano, Sergio, Qi, Ruxi, Rahnamoun, Ali, Risheh, Ali, Schott-Verdugo, Stephan, Shajan, Akhil, Swails, Jason, Wang, Junmei, Wei, Haixin, Wu, Xiongwu, Wu, Yongxian, Zhang, Shi, Zhao, Shiji, Zhu, Qiang, Cheatham, Thomas E., Roe, Daniel R., Roitberg, Adrian, Simmerling, Carlos, York, Darrin M., Nagan, Maria C., Merz, Kenneth M.
Published in Journal of chemical information and modeling (23.10.2023)
Published in Journal of chemical information and modeling (23.10.2023)
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